SCHEMBL7947523

SCHEMBL7947523

CN1CCC(Oc2ccccc2-c2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 8/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
GAA P10253 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
NMT1 P30419 1/20 0.48
TP53 P04637 5/20 0.48
HSD17B10 Q99714 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7959021 0.94 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1GAA
Dimethylamine SCHEMBL7961529 0.83 NMT1 (0.51) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL7955047 0.80 GPR55 (0.45) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL5734066 0.77 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL7961699 0.75 SMN1; SMN2 (0.81) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL7947708 0.74 CHRNB4 (0.54) TTRNPSR1
SCHEMBL17456031 0.74 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7961528 0.74 SMN1; SMN2 (0.46) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL7961623 0.74 MAPT (0.62) MAPTSMN1; SMN2RAB9ANPC1GPR55
SCHEMBL6428833 0.71 SMN1; SMN2 (0.62) MAPTSMN1; SMN2RAB9ANPC1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed